(E)-3-(2-nitrophenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]prop-2-enamide

Systemtic Name: (E)-3-(2-nitrophenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]prop-2-enamide Openeye Name: (E)-3-(2-nitrophenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]prop-2-enamide CAS Name: (E)-3-(2-nitrophenyl)-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-2-propenamide IUPAC Name: (E)-3-(2-nitrophenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]prop-2-enamide Traditional Name: (E)-3-(2-nitrophenyl)-N-[3-[4-(2-pyrimidyl)piperazino]propyl]acrylamide Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)C=CC2=CC=CC=C2[N+](=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CCCNC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C20H24N6O3/c27-19(8-7-17-5-1-2-6-18(17)26(28)29)21-11-4-12-24-13-15-25(16-14-24)20-22-9-3-10-23-20/h1-3,5-10H,4,11-16H2,(H,21,27)/b8-7+